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Enhancing preclinical drug discovery with artificial intelligence

Drug discovery today, 2022-04, Vol.27 (4), p.967-984

2022

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Structure-based classification predicts drug response in EGFR-mutant NSCLC

Nature (London), 2021-09, Vol.597 (7878), p.732-737

2021

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Review on nanofluids characterization, heat transfer characteristics and applications

Renewable & sustainable energy reviews, 2016-10, Vol.64, p.163-173

2016

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Conformational Analysis of the DFG-Out Kinase Motif and Biochemical Profiling of Structurally Validated Type II Inhibitors

Journal of medicinal chemistry, 2015-01, Vol.58 (1), p.466-479

2015

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Detecting Allosteric Sites of HIV‑1 Reverse Transcriptase by X‑ray Crystallographic Fragment Screening

Journal of medicinal chemistry, 2013-04, Vol.56 (7), p.2738-2746

2013

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Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease

The journal of physical chemistry. B, 2015-01, Vol.119 (3), p.976-988

2015

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Structural propensities of kinase family proteins from a Potts model of residue co‐variation

Protein science, 2016-08, Vol.25 (8), p.1378-1384

2016

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Performance enhancement of centrally finned twist inserted solar collector using corrugated booster reflectors

Energy (Oxford), 2019-02, Vol.168, p.858-869

2019

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Crystallographic Fragment Screening and Structure-Based Optimization Yields a New Class of Influenza Endonuclease Inhibitors

ACS chemical biology, 2013-11, Vol.8 (11), p.2501-2508

2013

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Structure-based virtual screening workflow to identify antivirals targeting HIV-1 capsid

Journal of computer-aided molecular design, 2022-03, Vol.36 (3), p.193-203

2022

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Effect of hybrid fillers of Mg–Al layered double hydroxide and nanoclay on the mechanical behavior and formability of glass laminate AA5052‐reinforced epoxy composites

Polymer composites, 2021-11, Vol.42 (11), p.6196-6212

2021

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Large scale free energy calculations for blind predictions of protein–ligand binding: the D3R Grand Challenge 2015

Journal of computer-aided molecular design, 2016-09, Vol.30 (9), p.743-751

2016

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Fracture reduction planning and guidance in orthopaedic trauma surgery via multi-body image registration

Medical image analysis, 2021-02, Vol.68, p.101917-101917, Article 101917

2021

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Crystal structures of an archaeal thymidylate kinase from Sulfolobus tokodaii provide insights into the role of a conserved active site Arginine residue

Journal of structural biology, 2017-03, Vol.197 (3), p.236-249

2017

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Effect of hybridization and stacking sequences on mechanical properties and thermal stability of aloe vera‐roselle‐glass fiber reinforced polymer composites

Polymer composites, 2023-10, Vol.44 (10), p.6593-6603

2023

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Binding Energy Distribution Analysis Method: Hamiltonian Replica Exchange with Torsional Flattening for Binding Mode Prediction and Binding Free Energy Estimation

Journal of chemical theory and computation, 2016-05, Vol.12 (5), p.2459-2470

2016

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Molecular dynamics study of HIV-1 RT-DNA-nevirapine complexes explains NNRTI inhibition and resistance by connection mutations

Proteins, structure, function, and bioinformatics, 2014-05, Vol.82 (5), p.815-829

2014

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Upper Cretaceous and Early Paleogene Smaller Calcareous Benthic Foraminifera from Cauvery Basin, Southeast India

Journal of the Geological Society of India, 2019-06, Vol.93 (6), p.675-683

2019

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Public Social Distance Monitoring System Using Object Detection YOLO Deep Learning Algorithm

SN computer science, 2023-11, Vol.4 (6), p.718, Article 718

2023

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A mobile isocentric C‐arm for intraoperative cone‐beam CT: Technical assessment of dose and 3D imaging performance

Medical physics (Lancaster), 2020-03, Vol.47 (3), p.958-974

2020

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Review On Natural Fiber Reinforced Composites

Materials today : proceedings, 2019, Vol.16, p.897-906

2019

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Infection with Decapod iridescent virus 1: an emerging disease in shrimp culture

Archives of microbiology, 2022-11, Vol.204 (11), p.685-685, Article 685

2022

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Phenyl substituted 3-hydroxypyridin-2(1H)-ones: Inhibitors of influenza A endonuclease

Bioorganic & medicinal chemistry, 2013-11, Vol.21 (21), p.6435-6446

2013

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Enhancing preclinical drug discovery with artificial intelligence

Structure-based classification predicts drug response in EGFR-mutant NSCLC

Review on nanofluids characterization, heat transfer characteristics and applications

Conformational Analysis of the DFG-Out Kinase Motif and Biochemical Profiling of Structurally Validated Type II Inhibitors

Pan-Cancer Landscape and Analysis of ERBB2 Mutations Identifies Poziotinib as a Clinically Active Inhibitor and Enhancer of T-DM1 Activity

Poziotinib for EGFR exon 20-mutant NSCLC: Clinical efficacy, resistance mechanisms, and impact of insertion location on drug sensitivity

Detecting Allosteric Sites of HIV‑1 Reverse Transcriptase by X‑ray Crystallographic Fragment Screening

Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease

Structural propensities of kinase family proteins from a Potts model of residue co‐variation

Performance enhancement of centrally finned twist inserted solar collector using corrugated booster reflectors

Crystallographic Fragment Screening and Structure-Based Optimization Yields a New Class of Influenza Endonuclease Inhibitors

Structure-based virtual screening workflow to identify antivirals targeting HIV-1 capsid

Effect of hybrid fillers of Mg–Al layered double hydroxide and nanoclay on the mechanical behavior and formability of glass laminate AA5052‐reinforced epoxy composites

Large scale free energy calculations for blind predictions of protein–ligand binding: the D3R Grand Challenge 2015

Fracture reduction planning and guidance in orthopaedic trauma surgery via multi-body image registration

Crystal structures of an archaeal thymidylate kinase from Sulfolobus tokodaii provide insights into the role of a conserved active site Arginine residue

Effect of hybridization and stacking sequences on mechanical properties and thermal stability of aloe vera‐roselle‐glass fiber reinforced polymer composites

Binding Energy Distribution Analysis Method: Hamiltonian Replica Exchange with Torsional Flattening for Binding Mode Prediction and Binding Free Energy Estimation

Molecular dynamics study of HIV-1 RT-DNA-nevirapine complexes explains NNRTI inhibition and resistance by connection mutations

Upper Cretaceous and Early Paleogene Smaller Calcareous Benthic Foraminifera from Cauvery Basin, Southeast India

Public Social Distance Monitoring System Using Object Detection YOLO Deep Learning Algorithm

A mobile isocentric C‐arm for intraoperative cone‐beam CT: Technical assessment of dose and 3D imaging performance

Review On Natural Fiber Reinforced Composites

Infection with Decapod iridescent virus 1: an emerging disease in shrimp culture

Phenyl substituted 3-hydroxypyridin-2(1H)-ones: Inhibitors of influenza A endonuclease

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